(E)-N-Benzyl-2-cyano-3-phenyl-acryl-amide

Area of Science:

• Organic Chemistry
• Crystallography
• Supramolecular Chemistry

Background:

• Understanding the three-dimensional structure of organic molecules is crucial for predicting their properties and reactivity.
• Crystal engineering utilizes intermolecular interactions to design and construct solid-state architectures with desired functions.
• Hydrogen bonding plays a significant role in stabilizing crystal structures and influencing molecular packing.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(17)H(14)N(2)O.
• To analyze the stereochemistry and conformation of the molecule, specifically the configuration around the C=C bond.
• To identify and characterize the intermolecular interactions, such as hydrogen bonds, present in the crystal.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the precise atomic arrangement.
• Crystallographic data were analyzed to establish bond lengths, bond angles, and dihedral angles.
• Analysis of intermolecular contacts was performed to identify hydrogen bonding networks.

Main Results:

• The title compound, C(17)H(14)N(2)O, was successfully crystallized and its structure determined.
• The molecule exhibits an E configuration across the central C=C double bond.
• A dihedral angle of 63.61(7)° was observed between the terminal phenyl rings.
• Intermolecular classical N-H⋯N and weak C-H⋯O hydrogen bonds were identified, contributing to the crystal packing.

Conclusions:

• The crystal structure provides detailed insights into the solid-state conformation of the C(17)H(14)N(2)O compound.
• The identified E configuration and dihedral angle are key stereochemical features.
• The presence of both classical and weak hydrogen bonds highlights their importance in the supramolecular assembly of this organic compound.